Compound Detail
CHEMBL4570716
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CCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC=C4[C@@H]5CC(C)(C)CC[C@]5(C(=O)NCCCC(=O)N[C@@H](C)C(=O)O)CC[C@@]4(C)[C@]3(C)CC[C@H]2C1(C)C
Basic Information
| ChEMBL ID | CHEMBL4570716 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XXEXCMXYZXLEOR-BWCUEZMVSA-N |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
669.0
MW (Da)
7.60
ALogP
5
HBA
3
HBD
121.8
PSA (Ų)
0.13
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31617361 | 10.1021/acs.jnatprod.9b00649 | Protease | 1 |
Data from ChEMBL 36 via Core Engine